PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=235-MA-68J)

Interfaces in PDB 3q3m crystal.
Space symmetry group: P 21 21 21. Resolution: 1.75 Å

TOLUENE 4 MONOOXYGENASE HD COMPLEX WITH INHIBITOR 4-BROMOBENZOATE

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
1	`1`		B	`438`	`93`	`16063`	`◊`	A	x,y,z	`1_555`	`442`	`97`	`20586`	`4228.1`	`-56.3`	`0.005`	`53`	`8`	`0`	`0.781`
	`2`		F	`421`	`91`	`15773`	`◊`	D	x,y,z	`1_555`	`439`	`97`	`20725`	`4188.9`	`-57.6`	`0.004`	`51`	`8`	`0`	`0.781`
	*Average:*													`4208.5`	`-57.0`	`0.004`	`52`	`8`	`0`	`0.781`
2	`3`		E	`164`	`39`	`6339`	`◊`	A	x,y,z	`1_555`	`187`	`53`	`20586`	`1686.9`	`-10.3`	`0.278`	`25`	`9`	`0`	`0.581`
	`4`		H	`163`	`38`	`6479`	`◊`	D	x,y,z	`1_555`	`186`	`52`	`20725`	`1682.8`	`-10.7`	`0.296`	`26`	`8`	`0`	`0.581`
	*Average:*													`1684.8`	`-10.5`	`0.287`	`26`	`9`	`0`	`0.581`
3	`5`		C	`132`	`33`	`4945`	`◊`	A	x,y,z	`1_555`	`143`	`40`	`20586`	`1281.8`	`-16.2`	`0.047`	`17`	`4`	`0`	`0.516`
	`6`		G	`131`	`33`	`4893`	`◊`	D	x,y,z	`1_555`	`141`	`40`	`20725`	`1279.5`	`-15.7`	`0.061`	`17`	`5`	`0`	`0.516`
	*Average:*													`1280.7`	`-15.9`	`0.054`	`17`	`5`	`0`	`0.516`
4	`7`		D	`74`	`24`	`20725`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`71`	`22`	`20586`	`599.2`	`3.7`	`0.939`	`4`	`0`	`0`	`0.000`
5	`8`		F	`55`	`18`	`15773`	`◊`	B	x,y,z	`1_555`	`53`	`16`	`16063`	`490.9`	`-2.5`	`0.565`	`3`	`5`	`0`	`0.018`
6	`9`		D	`43`	`12`	`20725`	`◊`	A	x,y,z	`1_555`	`43`	`12`	`20586`	`414.6`	`-6.5`	`0.132`	`2`	`0`	`0`	`0.029`
7	`10`		D	`39`	`12`	`20725`	`◊`	F	x-1/2,-y-1/2,-z	`4_445`	`32`	`9`	`15773`	`312.0`	`0.2`	`0.756`	`3`	`1`	`0`	`0.000`
	`11`		A	`24`	`11`	`20586`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`16`	`5`	`16063`	`182.8`	`1.5`	`0.848`	`1`	`1`	`0`	`0.000`
	*Average:*													`247.4`	`0.8`	`0.802`	`2`	`1`	`0`	`0.000`
8	`12`		B	`25`	`7`	`16063`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`32`	`10`	`16063`	`279.0`	`2.0`	`0.796`	`3`	`2`	`0`	`0.000`
	`13`		F	`23`	`5`	`15773`	`x`	F	x-1/2,-y-1/2,-z	`4_445`	`37`	`14`	`15773`	`256.7`	`1.8`	`0.847`	`3`	`3`	`0`	`0.000`
	*Average:*													`267.9`	`1.9`	`0.822`	`3`	`3`	`0`	`0.000`
9	`14`		H	`29`	`9`	`6479`	`◊`	A	x,y,z	`1_555`	`23`	`7`	`20586`	`241.9`	`0.9`	`0.747`	`3`	`4`	`0`	`0.008`
	`15`		E	`27`	`8`	`6339`	`◊`	D	x,y,z	`1_555`	`22`	`6`	`20725`	`226.8`	`0.8`	`0.734`	`3`	`4`	`0`	`0.008`
	*Average:*													`234.4`	`0.9`	`0.741`	`3`	`4`	`0`	`0.008`
10	`16`		H	`28`	`9`	`6479`	`◊`	B	x,y,z	`1_555`	`25`	`8`	`16063`	`232.3`	`-0.0`	`0.648`	`3`	`2`	`0`	`0.013`
	`17`		E	`27`	`9`	`6339`	`◊`	F	x,y,z	`1_555`	`22`	`8`	`15773`	`221.0`	`1.0`	`0.723`	`4`	`4`	`0`	`0.013`
	*Average:*													`226.6`	`0.5`	`0.686`	`4`	`3`	`0`	`0.013`
11	`18`		[Z82]B:329	`10`	`1`	`303`	`◊`	B	x,y,z	`1_555`	`26`	`8`	`16063`	`176.2`	`3.1`	`0.125`	`1`	`0`	`0`	`0.000`
	`19`		[Z82]F:328	`10`	`1`	`303`	`◊`	F	x,y,z	`1_555`	`25`	`8`	`15773`	`167.3`	`2.3`	`0.084`	`0`	`0`	`0`	`0.000`
	*Average:*													`171.8`	`2.7`	`0.105`	`1`	`0`	`0`	`0.000`
12	`20`		[Z82]B:328	`10`	`1`	`306`	`◊`	B	x,y,z	`1_555`	`21`	`9`	`16063`	`173.4`	`3.6`	`0.179`	`0`	`0`	`0`	`0.000`
13	`21`		G	`19`	`8`	`4893`	`◊`	E	x-1/2,-y-1/2,-z	`4_445`	`27`	`9`	`6339`	`172.5`	`0.9`	`0.695`	`1`	`0`	`0`	`0.000`
14	`22`		[Z82]H:104	`10`	`1`	`304`	`f`	H	x,y,z	`1_555`	`29`	`10`	`6479`	`171.7`	`3.2`	`0.184`	`1`	`0`	`0`	`0.000`
	`23`		[Z82]E:104	`10`	`1`	`301`	`f`	E	x,y,z	`1_555`	`29`	`10`	`6339`	`171.2`	`3.2`	`0.180`	`1`	`0`	`0`	`0.000`
	*Average:*													`171.5`	`3.2`	`0.182`	`1`	`0`	`0`	`0.000`
15	`24`		[Z82]A:510	`10`	`1`	`297`	`f`	A	x,y,z	`1_555`	`32`	`14`	`20586`	`159.3`	`3.5`	`0.444`	`0`	`0`	`0`	`0.000`
	`25`		[Z82]D:511	`10`	`1`	`298`	`f`	D	x,y,z	`1_555`	`32`	`14`	`20725`	`157.8`	`3.5`	`0.460`	`0`	`0`	`0`	`0.000`
	*Average:*													`158.5`	`3.5`	`0.452`	`0`	`0`	`0`	`0.000`
16	`26`		D	`13`	`4`	`20725`	`◊`	E	x-1/2,-y-1/2,-z	`4_445`	`13`	`4`	`6339`	`123.8`	`1.3`	`0.809`	`1`	`2`	`0`	`0.000`
17	`27`		D	`15`	`6`	`20725`	`◊`	B	x-1/2,-y-1/2,-z	`4_445`	`15`	`6`	`16063`	`111.7`	`0.8`	`0.771`	`1`	`1`	`0`	`0.000`
18	`28`		[Z82]H:104	`7`	`1`	`304`	`◊`	D	x,y,z	`1_555`	`15`	`4`	`20725`	`93.0`	`2.9`	`0.125`	`0`	`0`	`0`	`0.000`
	`29`		[Z82]E:104	`7`	`1`	`301`	`◊`	A	x,y,z	`1_555`	`15`	`4`	`20586`	`91.8`	`2.9`	`0.125`	`0`	`0`	`0`	`0.000`
	*Average:*													`92.4`	`2.9`	`0.125`	`0`	`0`	`0`	`0.000`
19	`30`		C	`7`	`4`	`4945`	`◊`	H	x-1/2,-y+1/2,-z	`4_455`	`10`	`4`	`6479`	`78.5`	`1.6`	`0.832`	`0`	`0`	`0`	`0.000`
20	`31`		A	`11`	`6`	`20586`	`◊`	F	x-1/2,-y+1/2,-z	`4_455`	`12`	`4`	`15773`	`77.1`	`0.3`	`0.708`	`0`	`0`	`0`	`0.000`
21	`32`		[FE]D:509	`1`	`1`	`137`	`f`	D	x,y,z	`1_555`	`14`	`7`	`20725`	`49.9`	`-8.5`	`0.000`	`0`	`0`	`0`	`0.422`
	`33`		[FE]A:870	`1`	`1`	`137`	`f`	A	x,y,z	`1_555`	`15`	`8`	`20586`	`49.7`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.422`
	`34`		[FE]D:510	`1`	`1`	`137`	`f`	D	x,y,z	`1_555`	`9`	`6`	`20725`	`46.8`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.422`
	`35`		[FE]A:509	`1`	`1`	`137`	`f`	A	x,y,z	`1_555`	`10`	`6`	`20586`	`46.8`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.422`
	*Average:*													`48.3`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.422`
22	`36`		A	`6`	`2`	`20586`	`◊`	D	x-1/2,-y+1/2,-z	`4_455`	`4`	`3`	`20725`	`49.9`	`-1.1`	`0.226`	`0`	`0`	`0`	`0.000`
	`37`		D	`6`	`3`	`20725`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`4`	`3`	`20586`	`44.6`	`-1.2`	`0.199`	`0`	`0`	`0`	`0.000`
	*Average:*													`47.3`	`-1.2`	`0.212`	`0`	`0`	`0`	`0.000`
23	`38`		A	`7`	`3`	`20586`	`◊`	H	x-1/2,-y+1/2,-z	`4_455`	`3`	`1`	`6479`	`46.8`	`1.6`	`0.893`	`1`	`1`	`0`	`0.000`
24	`39`		[Z82]B:328	`3`	`1`	`306`	`f`	H	x,y,z	`1_555`	`6`	`3`	`6479`	`33.8`	`0.7`	`0.114`	`1`	`0`	`0`	`0.000`
25	`40`		D	`9`	`5`	`20725`	`◊`	C	-x+1/2,-y,z-1/2	`2_554`	`6`	`4`	`4945`	`33.2`	`0.7`	`0.779`	`0`	`0`	`0`	`0.000`
	`41`		G	`1`	`1`	`4893`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`1`	`1`	`20586`	`4.4`	`-0.1`	`0.353`	`0`	`0`	`0`	`0.000`
	*Average:*													`18.8`	`0.3`	`0.566`	`0`	`0`	`0`	`0.000`
26	`42`		[Z82]D:511	`3`	`1`	`298`	`f`	[FE]D:510	x,y,z	`1_555`	`1`	`1`	`137`	`30.6`	`-2.4`	`0.000`	`0`	`0`	`0`	`0.117`
	`43`		[Z82]A:510	`3`	`1`	`297`	`f`	[FE]A:509	x,y,z	`1_555`	`1`	`1`	`137`	`30.1`	`-2.4`	`0.000`	`0`	`0`	`0`	`0.117`
	`44`		[Z82]D:511	`4`	`1`	`298`	`f`	[FE]D:509	x,y,z	`1_555`	`1`	`1`	`137`	`29.4`	`-2.3`	`0.000`	`0`	`0`	`0`	`0.117`
	`45`		[Z82]A:510	`4`	`1`	`297`	`f`	[FE]A:870	x,y,z	`1_555`	`1`	`1`	`137`	`29.3`	`-2.3`	`0.000`	`0`	`0`	`0`	`0.117`
	*Average:*													`29.8`	`-2.3`	`0.000`	`0`	`0`	`0`	`0.117`
27	`46`		B	`4`	`2`	`16063`	`f`	[Z82]B:329	x-1/2,-y+1/2,-z	`4_455`	`3`	`1`	`303`	`29.6`	`-0.1`	`0.043`	`0`	`0`	`0`	`0.100`
	`47`		F	`5`	`2`	`15773`	`f`	[Z82]F:328	x-1/2,-y-1/2,-z	`4_445`	`2`	`1`	`303`	`24.6`	`-0.0`	`0.138`	`0`	`0`	`0`	`0.100`
	*Average:*													`27.1`	`-0.0`	`0.091`	`0`	`0`	`0`	`0.100`
28	`48`		[FE]A:870	`1`	`1`	`137`	`f`	[FE]A:509	x,y,z	`1_555`	`1`	`1`	`137`	`23.8`	`-4.8`	`0.000`	`0`	`0`	`0`	`0.119`
29	`49`		[FE]D:510	`1`	`1`	`137`	`f`	[FE]D:509	x,y,z	`1_555`	`1`	`1`	`137`	`23.3`	`-4.7`	`0.000`	`0`	`0`	`0`	`0.116`
30	`50`		H	`2`	`1`	`6479`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`3`	`1`	`20586`	`14.2`	`0.2`	`0.727`	`0`	`0`	`0`	`0.000`
	`51`		D	`1`	`1`	`20725`	`◊`	E	-x+1/2,-y,z-1/2	`2_554`	`1`	`1`	`6339`	`0.9`	`0.0`	`0.690`	`0`	`0`	`0`	`0.000`
	*Average:*													`7.5`	`0.1`	`0.708`	`0`	`0`	`0`	`0.000`
31	`52`		B	`1`	`1`	`16063`	`◊`	D	x,y,z	`1_555`	`2`	`1`	`20725`	`13.4`	`0.6`	`0.895`	`0`	`0`	`0`	`0.000`
	`53`		F	`1`	`1`	`15773`	`◊`	A	x,y,z	`1_555`	`2`	`1`	`20586`	`12.8`	`0.6`	`0.908`	`0`	`0`	`0`	`0.000`
	*Average:*													`13.1`	`0.6`	`0.901`	`0`	`0`	`0`	`0.000`
32	`54`		F	`1`	`1`	`15773`	`◊`	B	x-1/2,-y-1/2,-z	`4_445`	`1`	`1`	`16063`	`2.1`	`0.1`	`0.769`	`0`	`0`	`0`	`0.000`
33	`55`		H	`1`	`1`	`6479`	`◊`	E	-x+1/2,-y,z-1/2	`2_554`	`1`	`1`	`6339`	`0.2`	`0.0`	`0.654`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe